Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-4.0019 0.1459 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6262 -0.2910 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5758 0.1645 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2422 -0.2837 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9063 0.0958 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1688 -0.4210 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3848 -0.1214 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3739 0.6093 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0532 1.2452 0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8115 -0.3949 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9992 -0.1010 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5510 -1.3876 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 0.1317 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 1.2729 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8034 -0.2262 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 0.1717 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 -1.3952 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9814 1.1925 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8008 -0.3423 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0409 -1.4936 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 0.0957 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 -0.5148 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3371 1.0332 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2436 0.8144 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers